General Information of the Compound
| Compound ID |
CP0880235
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| Compound Name |
SID17513200
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| Structure |
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| Formula |
C20H19Cl3N2
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| Molecular Weight |
393.745
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| Canonical SMILES |
Cc1ccc(-c2c[n+](Cc3ccc(Cl)c(Cl)c3)c3n2CCC3)cc1.[Cl-]
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| InChI |
InChI=1S/C20H19Cl2N2.ClH/c1-14-4-7-16(8-5-14)19-13-23(20-3-2-10-24(19)20)12-15-6-9-17(21)18(22)11-15;/h4-9,11,13H,2-3,10,12H2,1H3;1H/q+1;/p-1
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| InChIKey |
RVEYUPORRVWHSU-UHFFFAOYSA-M
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor